[Pw_forum] dynmat.x - segmentation fault error

"Kacper Drużbicki" kacper.druzbicki at uj.edu.pl
Wed Dec 21 10:54:35 CET 2011


I would like to kindly thank Prof Gianozzi for giving me the solution for the problem. Indeed, providing suggested changes was the point. Now dynmat.x works fine even for few-hundred atomic unit cells, with the only limitation of using ASR=simple. Thank you!

Kacper Druzbicki,
Faculty of Chemistry,
Department of Chemical Physics,
Jagiellonian University,
Ingardena Street 3, 30-060 Cracow, Poland
phone: +48 12 6632265

----- Original Message -----
From: Paolo Giannozzi <giannozz at democritos.it>
Date: Thursday, December 1, 2011 10:06 am
Subject: Re: [Pw_forum] dynmat.x - segmentation fault error
To: PWSCF Forum <pw_forum at pwscf.org>


> Try to replace routine set_asr in dynmat.f90 with the attached
> version - no warranty 
> 
> P.
> -- 
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
> 
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